|
Fluor-liddicoatite |
| |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
 |
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
|
Sample: LID3NEW |
|
_database_code_amcsd 0004246 |
|
15.8322 15.8322 7.1034 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .75 .57 .0069 |
|
NaX 0 0 .75 .29 .0069 |
|
AlY -.12340 -.06170 .3518 .47 .0104 |
|
LiY -.12340 -.06170 .3518 .44 .0104 |
|
Mn2+Y -.12340 -.06170 .3518 .02 .0104 |
|
AlZ -.29675 -.25965 .37670 .00810 |
|
SiT -.19203 -.19009 -.01194 .98 .00557 |
|
BT -.19203 -.19009 -.01194 .02 .00557 |
|
B -.10891 -.21782 -.4668 .0082 |
|
F1W 0 0 .2026 .76 .0365 |
|
O1W 0 0 .2026 .24 .0365 |
|
O2 -.05989 -.11978 -.4938 .0191 |
|
O3V -.26830 -.13415 .4783 .0129 |
|
O4 -.09253 -.18506 -.0866 .0106 |
|
O5 -.18439 -.092145 -.1081 .0109 |
|
O6 -.19564 -.18583 .2123 .0097 |
|
O7 -.28612 -.28547 -.09272 .00845 |
|
O8 -.20964 -.27022 -.4530 .0098 |
|
H1W -.0552 -.0276 .151 .08 .000 |
|
H3V -.267 -.1335 -.419 .041 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
|
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
|
Sample: LID6A1 |
|
_database_code_amcsd 0004247 |
|
15.8204 15.8204 7.0955 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .25 .50 .0093 |
|
NaX 0 0 .25 .34 .0093 |
|
AlY .12266 .06133 -.3470 .52 .0104 |
|
LiY .12266 .06133 -.3470 .38 .0104 |
|
Fe2+Y .12266 .06133 -.3470 .02 .0104 |
|
Mn2+Y .12266 .06133 -.3470 .01 .0104 |
|
AlZ .29675 .25979 -.37409 .00827 |
|
SiT .19196 .19000 .01538 .96 .00611 |
|
BT .19196 .19000 .01538 .04 .00611 |
|
B .10895 .21790 .4698 .0082 |
|
F1W 0 0 -.2009 .56 .0325 |
|
O1W 0 0 -.2009 .44 .0325 |
|
O2 .05996 .11992 .4991 .0188 |
|
O3V .26689 .133445 -.4759 .0138 |
|
O4 .09279 .18558 .0900 .0112 |
|
O5 .18494 .09247 .1115 .0117 |
|
O6 .19538 .18539 -.2093 .00974 |
|
O7 .28627 .28561 .09517 .00873 |
|
O8 .20955 .27011 .45548 .00982 |
|
H1W .0538 .0269 -.145 .147 .000 |
|
H3V .263 .1315 .413 .049 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
|
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
|
Sample: LID52 |
|
_database_code_amcsd 0004248 |
|
15.8119 15.8119 7.0925 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .25 .41 .0110 |
|
NaX 0 0 .25 .41 .0110 |
|
AlY .12240 .06120 -.34536 .54 .0102 |
|
LiY .12240 .06120 -.34536 .36 .0102 |
|
Mn2+Y .12240 .06120 -.34536 .01 .0102 |
|
Fe2+Y .12240 .06120 -.34536 .01 .0102 |
|
AlZ .29674 .25991 -.37294 .00815 |
|
SiT .19188 .18990 .01696 .95 .00605 |
|
BT .19188 .18990 .01696 .05 .00605 |
|
B .10895 .21790 .4713 .0083 |
|
F1W 0 0 -.2006 .51 .0303 |
|
O1W 0 0 -.2006 .49 .0303 |
|
O2 .05999 .11998 .5022 .0183 |
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O3V .26596 .13298 -.4746 .0138 |
|
O4 .09304 .18608 .0913 .0113 |
|
O5 .18534 .09267 .1129 .0118 |
|
O6 .19522 .18508 -.20791 .00971 |
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O7 .28630 .28569 .09613 .00872 |
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O8 .20954 .27009 .45660 .00976 |
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H1W .0543 .02715 -.146 .163 .000 |
|
H3V .263 .1315 .418 .052 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L1, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018406 |
|
15.8636 15.8636 7.1119 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76231 .487 .0161 |
|
NaX 0 0 .76231 .435 .0161 |
|
PbX 0 0 .76231 .022 .0161 |
|
AlY .06192 .93808 .36906 .413 .0113 |
|
FeY .06192 .93808 .36906 .037 .0113 |
|
MnY .06192 .93808 .36906 .121 .0113 |
|
LiY .06192 .93808 .36906 .429 .0113 |
|
TiY .06192 .93808 .36906 .001 .0113 |
|
AlZ .26015 .29717 .38793 .00617 |
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SiT .19025 .19213 0 .00496 |
|
B .89084 .10916 .5448 .0064 |
|
F(1o) 0 0 .2117 .709 .0566 |
|
OH(1o) 0 0 .2117 .291 .0566 |
|
O(2o) .93974 .06026 .5202 .0171 |
|
O(3) .13483 .86517 .4897 .0100 |
|
O(4) .90771 .09229 .9269 .0080 |
|
O(5) .09234 .90766 .9054 .0082 |
|
O(6) .18672 .19640 .22361 .0074 |
|
O(7) .28551 .28578 .91842 .0063 |
|
O(8) .27012 .20968 .55784 .0075 |
|
H(3) .1337 .8663 .624 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L1, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018407 |
|
15.8636 15.8636 7.1119 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76231 .487 .0161 |
|
NaX 0 0 .76231 .435 .0161 |
|
PbX 0 0 .76231 .022 .0161 |
|
TiY .06192 .93808 .36906 .001 .0113 |
|
AlY .06192 .93808 .36906 .413 .0113 |
|
FeY .06192 .93808 .36906 .037 .0113 |
|
MnY .06192 .93808 .36906 .121 .0113 |
|
LiY .06192 .93808 .36906 .429 .0113 |
|
AlZ .26015 .29717 .38793 .00617 |
|
SiT .19025 .19213 0 .00496 |
|
B .89084 .10916 .5448 .0064 |
|
F(1d) .01155 .0231 .2115 .236 .0149 |
|
OH(1d) .01155 .0231 .2115 .097 .0149 |
|
O(2d) .9302 .0508 .5200 .5 .0087 |
|
O(3) .13483 .86517 .4897 .0100 |
|
O(4) .90771 .09229 .9269 .0080 |
|
O(5) .09234 .90766 .9054 .0082 |
|
O(6) .18672 .19640 .22361 .0074 |
|
O(7) .28551 .28578 .91842 .0063 |
|
O(8) .27012 .20968 .55784 .0075 |
|
H(3) .1337 .8663 .624 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L2, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018408 |
|
15.8529 15.8529 7.1101 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76028 .563 .0157 |
|
NaX 0 0 .76028 .354 .0157 |
|
PbX 0 0 .76028 .026 .0157 |
|
AlY .06195 .93805 .36814 .398 .0117 |
|
FeY .06195 .93805 .36814 .005 .0117 |
|
MnY .06195 .93805 .36814 .11 .0117 |
|
LiY .06195 .93805 .36814 .487 .0117 |
|
AlZ .25992 .29700 .38782 .00640 |
|
SiT .19020 .19215 0 .00507 |
|
B .89089 .10911 .5451 .0068 |
|
F(1o) 0 0 .2120 .694 .0554 |
|
OH(1o) 0 0 .2120 .306 .0554 |
|
O(2o) .93998 .06002 .5199 .0183 |
|
O(3) .13490 .86510 .4893 .0102 |
|
O(4) .90773 .09227 .9263 .0081 |
|
O(5) .09213 .90787 .9047 .0086 |
|
O(6) .18644 .19624 .22358 .0074 |
|
O(7) .28547 .28581 .91820 .0063 |
|
O(8) .27016 .20953 .55771 .0077 |
|
H(3) .130 .870 .6256 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L2, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018409 |
|
15.8529 15.8529 7.1101 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76028 .563 .0157 |
|
NaX 0 0 .76028 .354 .0157 |
|
PbX 0 0 .76028 .026 .0157 |
|
AlY .06195 .93805 .36814 .398 .0117 |
|
FeY .06195 .93805 .36814 .005 .0117 |
|
MnY .06195 .93805 .36814 .11 .0117 |
|
LiY .06195 .93805 .36814 .487 .0117 |
|
AlZ .25992 .29700 .38782 .00640 |
|
SiT .19020 .19215 0 .00507 |
|
B .89089 .10911 .5451 .0068 |
|
F(1d) .01152 .0230 .2118 .231 .014 |
|
OH(1d) .01152 .0230 .2118 .102 .014 |
|
O(2d) .9304 .0505 .5197 .5 .0102 |
|
O(3) .13490 .86510 .4893 .0102 |
|
O(4) .90773 .09227 .9263 .0081 |
|
O(5) .09213 .90787 .9047 .0086 |
|
O(6) .18644 .19624 .22358 .0074 |
|
O(7) .28547 .28581 .91820 .0063 |
|
O(8) .27016 .20953 .55771 .0077 |
|
H(3) .130 .870 .6256 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L4, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018410 |
|
15.8548 15.8548 7.1099 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76060 .517 .0165 |
|
NaX 0 0 .76060 .386 .0165 |
|
PbX 0 0 .76060 .021 .0165 |
|
TiY .06191 .93809 .36813 .001 .0114 |
|
AlY .06191 .93809 .36813 .391 .0114 |
|
FeY .06191 .93809 .36813 .03 .0114 |
|
MgY .06191 .93809 .36813 .034 .0114 |
|
MnY .06191 .93809 .36813 .078 .0114 |
|
LiY .06191 .93809 .36813 .465 .0114 |
|
AlZ .26002 .29703 .38784 .00647 |
|
SiT .19018 .19210 0 .00515 |
|
B .89101 .10899 .5448 .0072 |
|
F(1o) 0 0 .2126 .589 .0537 |
|
OH(1o) 0 0 .2126 .411 .0537 |
|
O(2o) .93983 .06017 .5197 .0162 |
|
O(3) .13478 .86522 .4895 .0101 |
|
O(4) .90773 .09227 .9265 .0082 |
|
O(5) .09226 .90774 .9048 .0090 |
|
O(6) .18634 .19616 .22358 .0074 |
|
O(7) .28554 .28588 .91854 .0064 |
|
O(8) .27019 .20964 .55767 .0076 |
|
H(3) .1303 .8697 .625 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L4, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018411 |
|
15.8548 15.8548 7.1099 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76060 .517 .0165 |
|
NaX 0 0 .76060 .386 .0165 |
|
PbX 0 0 .76060 .021 .0165 |
|
TiY .06191 .93809 .36813 .001 .0114 |
|
AlY .06191 .93809 .36813 .391 .0114 |
|
FeY .06191 .93809 .36813 .03 .0114 |
|
MgY .06191 .93809 .36813 .034 .0114 |
|
MnY .06191 .93809 .36813 .078 .0114 |
|
LiY .06191 .93809 .36813 .465 .0114 |
|
AlZ .26002 .29703 .38784 .00647 |
|
SiT .19018 .19210 0 .00515 |
|
B .89101 .10899 .5448 .0072 |
|
F(1d) .01134 .0227 .2125 .196 .0144 |
|
OH(1d) .01134 .0227 .2125 .137 .0144 |
|
O(2d) .9308 .0511 .5195 .5 .0088 |
|
O(3) .13478 .86522 .4895 .0101 |
|
O(4) .90773 .09227 .9265 .0082 |
|
O(5) .09226 .90774 .9048 .0090 |
|
O(6) .18634 .19616 .22358 .0074 |
|
O(7) .28554 .28588 .91854 .0064 |
|
O(8) .27019 .20964 .55767 .0076 |
|
H(3) .1303 .8697 .625 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L5, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018412 |
|
15.8456 15.8456 7.1066 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76011 .628 .0143 |
|
NaX 0 0 .76011 .297 .0143 |
|
PbX 0 0 .76011 .023 .0143 |
|
AlY .06192 .93808 .36673 .396 .0117 |
|
FeY .06192 .93808 .36673 .007 .0117 |
|
MnY .06192 .93808 .36673 .069 .0117 |
|
LiY .06192 .93808 .36673 .528 .0117 |
|
AlZ .25977 .29691 .38791 .00637 |
|
SiT .19025 .19215 0 .00511 |
|
B .89099 .10901 .5446 .0075 |
|
F(1o) 0 0 .2121 .702 .0551 |
|
OH(1o) 0 0 .2121 .298 .0551 |
|
O(2o) .93986 .06014 .5198 .0167 |
|
O(3) .13478 .86522 .4895 .0104 |
|
O(4) .90781 .09219 .9255 .0087 |
|
O(5) .09217 .90783 .9041 .0082 |
|
O(6) .18640 .19590 .22349 .0071 |
|
O(7) .28537 .28589 .91828 .0064 |
|
O(8) .27004 .20972 .55772 .0075 |
|
H(3) .1321 .8679 .623 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L5, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018413 |
|
15.8456 15.8456 7.1066 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76011 .628 .0143 |
|
NaX 0 0 .76011 .297 .0143 |
|
PbX 0 0 .76011 .023 .0143 |
|
AlY .06192 .93808 .36673 .396 .0117 |
|
FeY .06192 .93808 .36673 .007 .0117 |
|
MnY .06192 .93808 .36673 .069 .0117 |
|
LiY .06192 .93808 .36673 .528 .0117 |
|
AlZ .25977 .29691 .38791 .00637 |
|
SiT .19025 .19215 0 .00511 |
|
B .89099 .10901 .5446 .0075 |
|
F(1d) .01136 .0227 .2119 .234 .0151 |
|
OH(1d) .01136 .0227 .2119 .99 .0151 |
|
O(2d) .9305 .0509 .5196 .5 .0088 |
|
O(3) .13478 .86522 .4895 .0104 |
|
O(4) .90781 .09219 .9255 .0087 |
|
O(5) .09217 .90783 .9041 .0082 |
|
O(6) .18640 .19590 .22349 .0071 |
|
O(7) .28537 .28589 .91828 .0064 |
|
O(8) .27004 .20972 .55772 .0075 |
|
H(3) .1321 .8679 .623 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L6, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018414 |
|
15.8418 15.8418 7.1044 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76028 .641 .0145 |
|
NaX 0 0 .76028 .288 .0145 |
|
PbX 0 0 .76028 .023 .0145 |
|
AlY .06188 .93812 .36596 .398 .0124 |
|
FeY .06188 .93812 .36596 .007 .0124 |
|
MnY .06188 .93812 .36596 .06 .0124 |
|
LiY .06188 .93812 .36596 .535 .0124 |
|
AlZ .25972 .29686 .38801 .00633 |
|
SiT .19023 .19212 0 .00500 |
|
B .89104 .10896 .5447 .0068 |
|
F(1o) 0 0 .2115 .696 .0540 |
|
OH(1o) 0 0 .2115 .304 .0540 |
|
O(2o) .93990 .06010 .5198 .0171 |
|
O(3) .13493 .86507 .4899 .0103 |
|
O(4) .90780 .09220 .9256 .0084 |
|
O(5) .09210 .90790 .9042 .0085 |
|
O(6) .18632 .19597 .22365 .0071 |
|
O(7) .28534 .28596 .91837 .0064 |
|
O(8) .27000 .20969 .55794 .0076 |
|
H(3) .1306 .8694 .622 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L6, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018415 |
|
15.8418 15.8418 7.1044 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76028 .641 .0145 |
|
NaX 0 0 .76028 .288 .0145 |
|
PbX 0 0 .76028 .023 .0145 |
|
AlY .06188 .93812 .36596 .398 .0124 |
|
FeY .06188 .93812 .36596 .007 .0124 |
|
MnY .06188 .93812 .36596 .06 .0124 |
|
LiY .06188 .93812 .36596 .535 .0124 |
|
AlZ .25972 .29686 .38801 .00633 |
|
SiT .19023 .19212 0 .00500 |
|
B .89104 .10896 .5447 .0068 |
|
F(1d) .01128 .0226 .2114 .232 .0145 |
|
OH(1d) .01128 .0226 .2114 .101 .0145 |
|
O(2d) .9306 .0509 .5196 .5 .0092 |
|
O(3) .13493 .86507 .4899 .0103 |
|
O(4) .90780 .09220 .9256 .0084 |
|
O(5) .09210 .90790 .9042 .0085 |
|
O(6) .18632 .19597 .22365 .0071 |
|
O(7) .28534 .28596 .91837 .0064 |
|
O(8) .27000 .20969 .55794 .0076 |
|
H(3) .1306 .8694 .622 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L7, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018416 |
|
15.8363 15.8363 7.1040 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76057 .636 .0144 |
|
NaX 0 0 .76057 .282 .0144 |
|
PbX 0 0 .76057 .02 .0144 |
|
TiY .06185 .93815 .36575 .001 .0113 |
|
AlY .06185 .93815 .36575 .408 .0113 |
|
FeY .06185 .93815 .36575 .015 .0113 |
|
MgY .06185 .93815 .36575 .001 .0113 |
|
MnY .06185 .93815 .36575 .045 .0113 |
|
LiY .06185 .93815 .36575 .531 .0113 |
|
AlZ .25973 .29683 .38801 .00640 |
|
SiT .19017 .19210 0 .00518 |
|
B .89115 .10885 .5444 .0069 |
|
F(1o) 0 0 .2118 .709 .0522 |
|
OH(1o) 0 0 .2118 .291 .0522 |
|
O(2o) .94001 .05999 .5199 .0169 |
|
O(3) .13484 .86516 .4896 .0104 |
|
O(4) .90786 .09214 .9257 .0085 |
|
O(5) .09203 .90797 .9042 .0084 |
|
O(6) .18607 .19593 .22357 .0071 |
|
O(7) .28541 .28596 .91831 .0065 |
|
O(8) .26996 .20947 .55779 .0074 |
|
H(3) .1279 .8721 .620 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L7, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018417 |
|
15.8363 15.8363 7.1040 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76057 .636 .0144 |
|
NaX 0 0 .76057 .282 .0144 |
|
PbX 0 0 .76057 .02 .0144 |
|
TiY .06185 .93815 .36575 .001 .0113 |
|
AlY .06185 .93815 .36575 .408 .0113 |
|
FeY .06185 .93815 .36575 .015 .0113 |
|
MgY .06185 .93815 .36575 .001 .0113 |
|
MnY .06185 .93815 .36575 .045 .0113 |
|
LiY .06185 .93815 .36575 .531 .0113 |
|
AlZ .25973 .29683 .38801 .00640 |
|
SiT .19017 .19210 0 .00518 |
|
B .89115 .10885 .5444 .0069 |
|
F(1d) .01111 .0222 .2117 .236 .014 |
|
OH(1d) .01111 .0222 .2117 .097 .014 |
|
O(2d) .9309 .0510 .5197 .5 .0095 |
|
O(3) .13484 .86516 .4896 .0104 |
|
O(4) .90786 .09214 .9257 .0085 |
|
O(5) .09203 .90797 .9042 .0084 |
|
O(6) .18607 .19593 .22357 .0071 |
|
O(7) .28541 .28596 .91831 .0065 |
|
O(8) .26996 .20947 .55779 .0074 |
|
H(3) .1279 .8721 .620 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L11, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018418 |
|
15.8675 15.8675 7.1135 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76038 .441 .0173 |
|
NaX 0 0 .76038 .471 .0173 |
|
PbX 0 0 .76038 .025 .0173 |
|
AlY .06200 .93800 .37036 .389 .0108 |
|
FeY .06200 .93800 .37036 .009 .0108 |
|
MnY .06200 .93800 .37036 .177 .0108 |
|
LiY .06200 .93800 .37036 .426 .0108 |
|
AlZ .26026 .29728 .38757 .00609 |
|
SiT .19021 .19214 0 .00493 |
|
B .89067 .10933 .5451 .0069 |
|
F(1o) 0 0 .2114 .681 .0612 |
|
OH(1o) 0 0 .2114 .319 .0612 |
|
O(2o) .93960 .06040 .5209 .0180 |
|
O(3) .13504 .86496 .4894 .0091 |
|
O(4) .90755 .09245 .9268 .0078 |
|
O(5) .09244 .90756 .9053 .0081 |
|
O(6) .18694 .19657 .22355 .0073 |
|
O(7) .28546 .28565 .91811 .0062 |
|
O(8) .27017 .20974 .55749 .0076 |
|
H(3) .1319 .8681 .623 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L11, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018419 |
|
15.8675 15.8675 7.1135 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76038 .441 .0173 |
|
NaX 0 0 .76038 .471 .0173 |
|
PbX 0 0 .76038 .025 .0173 |
|
AlY .06200 .93800 .37036 .389 .0108 |
|
FeY .06200 .93800 .37036 .009 .0108 |
|
MnY .06200 .93800 .37036 .177 .0108 |
|
LiY .06200 .93800 .37036 .426 .0108 |
|
AlZ .26026 .29728 .38757 .00609 |
|
SiT .19021 .19214 0 .00493 |
|
B .89067 .10933 .5451 .0069 |
|
F(1d) .01214 .0243 .2112 .227 .014 |
|
OH(1d) .01214 .0243 .2112 .106 .014 |
|
O(2d) .9298 .0507 .5207 .5 .0090 |
|
O(3) .13504 .86496 .4894 .0091 |
|
O(4) .90755 .09245 .9268 .0078 |
|
O(5) .09244 .90756 .9053 .0081 |
|
O(6) .18694 .19657 .22355 .0073 |
|
O(7) .28546 .28565 .91811 .0062 |
|
O(8) .27017 .20974 .55749 .0076 |
|
H(3) .1319 .8681 .623 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L12, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018420 |
|
15.853 15.853 7.120 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76015 .51 .01604 |
|
NaX 0 0 .76015 .408 .01604 |
|
PbX 0 0 .76015 .026 .01604 |
|
AlY .06192 .93808 .36940 .397 .0115 |
|
FeY .06192 .93808 .36940 .009 .0115 |
|
MnY .06192 .93808 .36940 .141 .0115 |
|
LiY .06192 .93808 .36940 .453 .0115 |
|
AlZ .26009 .29709 .38774 .00653 |
|
SiT .19020 .19212 0 .00518 |
|
B .89096 .10904 .5454 .0069 |
|
F(1o) 0 0 .2113 .752 .0549 |
|
OH(1o) 0 0 .2113 .248 .0549 |
|
O(2o) .93979 .06021 .5203 .0176 |
|
O(3) .13492 .86508 .4894 .0102 |
|
O(4) .90767 .09233 .9268 .0085 |
|
O(5) .09227 .90773 .9051 .0088 |
|
O(6) .18674 .19646 .22354 .0073 |
|
O(7) .28551 .28579 .91824 .0064 |
|
O(8) .27016 .20967 .55772 .0082 |
|
H(3) .1311 .8689 .624 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L12, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018421 |
|
15.853 15.853 7.120 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76015 .51 .01604 |
|
NaX 0 0 .76015 .408 .01604 |
|
PbX 0 0 .76015 .026 .01604 |
|
AlY .06192 .93808 .36940 .397 .0115 |
|
FeY .06192 .93808 .36940 .009 .0115 |
|
MnY .06192 .93808 .36940 .141 .0115 |
|
LiY .06192 .93808 .36940 .453 .0115 |
|
AlZ .26009 .29709 .38774 .00653 |
|
SiT .19020 .19212 0 .00518 |
|
B .89096 .10904 .5454 .0069 |
|
F(1d) .01165 .0233 .2111 .251 .012 |
|
OH(1d) .01165 .0233 .2111 .082 .012 |
|
O(2d) .9300 .0505 .5202 .5 .0088 |
|
O(3) .13492 .86508 .4894 .0102 |
|
O(4) .90767 .09233 .9268 .0085 |
|
O(5) .09227 .90773 .9051 .0088 |
|
O(6) .18674 .19646 .22354 .0073 |
|
O(7) .28551 .28579 .91824 .0064 |
|
O(8) .27016 .20967 .55772 .0082 |
|
H(3) .1311 .8689 .624 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L13, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018422 |
|
15.8449 15.8449 7.1053 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76231 .583 .0161 |
|
NaX 0 0 .76231 .345 .0161 |
|
PbX 0 0 .76231 .006 .0161 |
|
TiY .06196 .93804 .36590 .003 .0110 |
|
AlY .06196 .93804 .36590 .403 .0110 |
|
FeY .06196 .93804 .36590 .005 .0110 |
|
MgY .06196 .93804 .36590 .02 .0110 |
|
MnY .06196 .93804 .36590 .011 .0110 |
|
LiY .06196 .93804 .36590 .497 .0110 |
|
AlZ .25978 .29699 .38818 .00631 |
|
SiT .19019 .19212 0 .00539 |
|
B .89082 .10918 .5450 .0073 |
|
F(1o) 0 0 .2130 .647 .0546 |
|
OH(1o) 0 0 .2130 .353 .0546 |
|
O(2o) .93980 .06020 .5191 .0167 |
|
O(3) .13458 .86542 .4900 .0100 |
|
O(4) .90765 .09235 .9255 .0085 |
|
O(5) .09219 .90781 .9043 .0085 |
|
O(6) .18640 .19593 .22381 .0073 |
|
O(7) .28531 .28582 .91855 .0063 |
|
O(8) .27008 .20974 .55830 .0076 |
|
H(3) .13312 .8668 .625 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L13, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018423 |
|
15.8449 15.8449 7.1053 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76231 .583 .0161 |
|
NaX 0 0 .76231 .345 .0161 |
|
PbX 0 0 .76231 .006 .0161 |
|
TiY .06196 .93804 .36590 .003 .0110 |
|
AlY .06196 .93804 .36590 .403 .0110 |
|
FeY .06196 .93804 .36590 .005 .0110 |
|
MgY .06196 .93804 .36590 .02 .0110 |
|
MnY .06196 .93804 .36590 .011 .0110 |
|
LiY .06196 .93804 .36590 .497 .0110 |
|
AlZ .25978 .29699 .38818 .00631 |
|
SiT .19019 .19212 0 .00539 |
|
B .89082 .10918 .5450 .0073 |
|
F(1d) .01115 .0223 .2128 .216 .0158 |
|
OH(1d) .01115 .0223 .2128 .117 .0158 |
|
O(2d) .9306 .0511 .5190 .5 .0090 |
|
O(3) .13458 .86542 .4900 .0100 |
|
O(4) .90765 .09235 .9255 .0085 |
|
O(5) .09219 .90781 .9043 .0085 |
|
O(6) .18640 .19593 .22381 .0073 |
|
O(7) .28531 .28582 .91855 .0063 |
|
O(8) .27008 .20974 .55830 .0076 |
|
H(3) .13312 .8668 .625 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L15, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018424 |
|
15.8248 15.8248 7.0993 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76133 .696 .0134 |
|
NaX 0 0 .76133 .228 .0134 |
|
PbX 0 0 .76133 .01 .0134 |
|
AlY .06182 .93818 .3637 .419 .0113 |
|
FeY .06182 .93818 .3637 .01 .0113 |
|
MnY .06182 .93818 .3637 .011 .0113 |
|
LiY .06182 .93818 .3637 .56 .0113 |
|
AlZ .25956 .29670 .38834 .00608 |
|
SiT .19020 .19210 0 .00509 |
|
B .89111 .10889 .5446 .0067 |
|
F(1o) 0 0 .2116 .668 .0522 |
|
OH(1o) 0 0 .2116 .332 .0522 |
|
O(2o) .94007 .05993 .5188 .0164 |
|
O(3) .13465 .86535 .4902 .0105 |
|
O(4) .90785 .09215 .9248 .0084 |
|
O(5) .09192 .90808 .9042 .0079 |
|
O(6) .18579 .19537 .2233 .0072 |
|
O(7) .28522 .28582 .91856 .0063 |
|
O(8) .26990 .20955 .55810 .0076 |
|
H(3) .1384 .8616 .625 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L15, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018425 |
|
15.8248 15.8248 7.0993 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76133 .696 .0134 |
|
NaX 0 0 .76133 .228 .0134 |
|
PbX 0 0 .76133 .01 .0134 |
|
AlY .06182 .93818 .3637 .419 .0113 |
|
FeY .06182 .93818 .3637 .01 .0113 |
|
MnY .06182 .93818 .3637 .011 .0113 |
|
LiY .06182 .93818 .3637 .56 .0113 |
|
AlZ .25956 .29670 .38834 .00608 |
|
SiT .19020 .19210 0 .00509 |
|
B .89111 .10889 .5446 .0067 |
|
F(1d) .01091 .0218 .2114 .222 .0148 |
|
OH(1d) .01091 .0218 .2114 .111 .0148 |
|
O(2d) .93061 .0506 .5188 .5 .0082 |
|
O(3) .13465 .86535 .4902 .0105 |
|
O(4) .90785 .09215 .9248 .0084 |
|
O(5) .09192 .90808 .9042 .0079 |
|
O(6) .18579 .19537 .2233 .0072 |
|
O(7) .28522 .28582 .91856 .0063 |
|
O(8) .26990 .20955 .55810 .0076 |
|
H(3) .1384 .8616 .625 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L16, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018426 |
|
15.8307 15.8307 7.1013 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76121 .685 .0142 |
|
NaX 0 0 .76121 .245 .0142 |
|
PbX 0 0 .76121 .01 .0142 |
|
TiY .06184 .93816 .36437 .001 .0103 |
|
AlY .06184 .93816 .36437 .429 .0103 |
|
FeY .06184 .93816 .36437 .02 .0103 |
|
MnY .06184 .93816 .36437 .012 .0103 |
|
LiY .06184 .93816 .36437 .539 .0103 |
|
AlZ .25959 .29671 .38825 .00608 |
|
SiT .19018 .19206 0 .00493 |
|
B .89126 .10874 .5447 .0068 |
|
F(1o) 0 0 .2117 .685 .0492 |
|
OH(1o) 0 0 .2117 .315 .0492 |
|
O(2o) .94020 .05980 .5197 .0164 |
|
O(3) .13462 .86538 .48995 .0107 |
|
O(4) .90791 .09209 .92522 .0084 |
|
O(5) .09198 .90802 .90386 .0083 |
|
O(6) .18587 .19569 .22358 .00718 |
|
O(7) .28539 .28599 .91839 .00602 |
|
O(8) .26990 .20948 .55815 .00735 |
|
H(3) .1325 .8675 .624 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L16, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018427 |
|
15.8307 15.8307 7.1013 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76121 .685 .0142 |
|
NaX 0 0 .76121 .245 .0142 |
|
PbX 0 0 .76121 .01 .0142 |
|
TiY .06184 .93816 .36437 .001 .0103 |
|
AlY .06184 .93816 .36437 .429 .0103 |
|
FeY .06184 .93816 .36437 .02 .0103 |
|
MnY .06184 .93816 .36437 .012 .0103 |
|
LiY .06184 .93816 .36437 .539 .0103 |
|
AlZ .25959 .29671 .38825 .00608 |
|
SiT .19018 .19206 0 .00493 |
|
B .89126 .10874 .5447 .0068 |
|
F(1d) .01085 .0217 .2115 .228 .0131 |
|
OH(1d) .01085 .0217 .2115 .105 .0131 |
|
O(2d) .93127 .05097 .5194 .5 .0093 |
|
O(3) .13462 .86538 .48995 .0107 |
|
O(4) .90791 .09209 .92522 .0084 |
|
O(5) .09198 .90802 .90386 .0083 |
|
O(6) .18587 .19569 .22358 .00718 |
|
O(7) .28539 .28599 .91839 .00602 |
|
O(8) .26990 .20948 .55815 .00735 |
|
H(3) .1325 .8675 .624 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L17, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018428 |
|
15.8337 15.8337 7.1023 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76167 .645 .0148 |
|
NaX 0 0 .76167 .282 .0148 |
|
PbX 0 0 .76167 .009 .0148 |
|
TiY .06183 .93817 .36458 .002 .0110 |
|
AlY .06183 .93817 .36458 .432 .0110 |
|
FeY .06183 .93817 .36458 .003 .0110 |
|
MnY .06183 .93817 .36458 .01 .0110 |
|
LiY .06183 .93817 .36458 .519 .0110 |
|
AlZ .25965 .29678 .38821 .00616 |
|
SiT .19020 .19211 0 .00530 |
|
B .89120 .10880 .5444 .0071 |
|
F(1o) 0 0 .2121 .714 .0521 |
|
OH(1o) 0 0 .2121 .286 .0521 |
|
O(2o) .94006 .05994 .5189 .0162 |
|
O(3) .13461 .86539 .4899 .0106 |
|
O(4) .90785 .09215 .9253 .0084 |
|
O(5) .09199 .90801 .9039 .0088 |
|
O(6) .18605 .19576 .22368 .0072 |
|
O(7) .28538 .28594 .91839 .00614 |
|
O(8) .26986 .20952 .55796 .0074 |
|
H(3) .1320 .8680 .622 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L17, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018429 |
|
15.8337 15.8337 7.1023 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76167 .645 .0148 |
|
NaX 0 0 .76167 .282 .0148 |
|
PbX 0 0 .76167 .009 .0148 |
|
TiY .06183 .93817 .36458 .002 .0110 |
|
AlY .06183 .93817 .36458 .432 .0110 |
|
FeY .06183 .93817 .36458 .003 .0110 |
|
MnY .06183 .93817 .36458 .01 .0110 |
|
LiY .06183 .93817 .36458 .519 .0110 |
|
AlZ .25965 .29678 .38821 .00616 |
|
SiT .19020 .19211 0 .00530 |
|
B .89120 .10880 .5444 .0071 |
|
F(1d) .01108 .0222 .2120 .238 .015 |
|
OH(1d) .01108 .0222 .2120 .095 .015 |
|
O(2d) .9311 .0511 .5187 .5 .0091 |
|
O(3) .13461 .86539 .4899 .0106 |
|
O(4) .90785 .09215 .9253 .0084 |
|
O(5) .09199 .90801 .9039 .0088 |
|
O(6) .18605 .19576 .22368 .0072 |
|
O(7) .28538 .28594 .91839 .00614 |
|
O(8) .26986 .20952 .55796 .0074 |
|
H(3) .1320 .8680 .622 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L18, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018430 |
|
15.8293 15.8293 7.1003 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76118 .688 .0140 |
|
NaX 0 0 .76118 .239 .0140 |
|
PbX 0 0 .76118 .009 .0140 |
|
TiY .06182 .93818 .36366 .001 .0110 |
|
AlY .06182 .93818 .36366 .445 .0110 |
|
FeY .06182 .93818 .36366 .01 .0110 |
|
MnY .06182 .93818 .36366 .011 .0110 |
|
LiY .06182 .93818 .36366 .532 .0110 |
|
AlZ .25957 .29670 .38821 .00626 |
|
SiT .19018 .19211 0 .00528 |
|
B .89123 .10877 .5444 .0069 |
|
F(1o) 0 0 .2110 .73 .0482 |
|
OH(1o) 0 0 .2110 .27 .0482 |
|
O(2o) .94015 .05985 .5193 .0161 |
|
O(3) .13448 .86552 .4899 .0111 |
|
O(4) .90791 .09209 .9252 .0083 |
|
O(5) .09197 .90803 .9037 .0085 |
|
O(6) .18598 .19565 .22373 .0075 |
|
O(7) .28547 .28610 .91847 .00617 |
|
O(8) .26992 .20950 .55805 .0074 |
|
H(3) .1294 .8706 .624 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L18, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018431 |
|
15.8293 15.8293 7.1003 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76118 .688 .0140 |
|
NaX 0 0 .76118 .239 .0140 |
|
PbX 0 0 .76118 .009 .0140 |
|
TiY .06182 .93818 .36366 .001 .0110 |
|
AlY .06182 .93818 .36366 .445 .0110 |
|
FeY .06182 .93818 .36366 .01 .0110 |
|
MnY .06182 .93818 .36366 .011 .0110 |
|
LiY .06182 .93818 .36366 .532 .0110 |
|
AlZ .25957 .29670 .38821 .00626 |
|
SiT .19018 .19211 0 .00528 |
|
B .89123 .10877 .5444 .0069 |
|
F(1d) .01073 .0215 .2108 .243 .013 |
|
OH(1d) .01073 .0215 .2108 .09 .013 |
|
O(2d) .9313 .0511 .5191 .5 .0092 |
|
O(3) .13448 .86552 .4899 .0111 |
|
O(4) .90791 .09209 .9252 .0083 |
|
O(5) .09197 .90803 .9037 .0085 |
|
O(6) .18598 .19565 .22373 .0075 |
|
O(7) .28547 .28610 .91847 .00617 |
|
O(8) .26992 .20950 .55805 .0074 |
|
H(3) .1294 .8706 .624 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L19, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018432 |
|
15.8343 15.8343 7.1012 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76142 .682 .0141 |
|
NaX 0 0 .76142 .248 .0141 |
|
PbX 0 0 .76142 .009 .0141 |
|
TiY .06186 .93814 .36396 .001 .0110 |
|
AlY .06186 .93814 .36396 .432 .0110 |
|
FeY .06186 .93814 .36396 .015 .0110 |
|
MnY .06186 .93814 .36396 .009 .0110 |
|
LiY .06186 .93814 .36396 .542 .0110 |
|
AlZ .25958 .29672 .38819 .00609 |
|
SiT .19019 .19210 0 .00509 |
|
B .89106 .10894 .5447 .0069 |
|
F(1o) 0 0 .2115 .669 .0518 |
|
OH(1o) 0 0 .2115 .331 .0518 |
|
O(2o) .94010 .05990 .5190 .0162 |
|
O(3) .13455 .86545 .4899 .0105 |
|
O(4) .90793 .09207 .9248 .0081 |
|
O(5) .09207 .90793 .9040 .0083 |
|
O(6) .18595 .19554 .22357 .0070 |
|
O(7) .28524 .28589 .91828 .00618 |
|
O(8) .26999 .20964 .55817 .0072 |
|
H(3) .1316 .8684 .623 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L19, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018433 |
|
15.8343 15.8343 7.1012 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76142 .682 .0141 |
|
NaX 0 0 .76142 .248 .0141 |
|
PbX 0 0 .76142 .009 .0141 |
|
TiY .06186 .93814 .36396 .001 .0110 |
|
AlY .06186 .93814 .36396 .432 .0110 |
|
FeY .06186 .93814 .36396 .015 .0110 |
|
MnY .06186 .93814 .36396 .009 .0110 |
|
LiY .06186 .93814 .36396 .542 .0110 |
|
AlZ .25958 .29672 .38819 .00609 |
|
SiT .19019 .19210 0 .00509 |
|
B .89106 .10894 .5447 .0069 |
|
F(1d) .01096 .0219 .2114 .223 .014 |
|
OH(1d) .01096 .0219 .2114 .11 .014 |
|
O(2d) .9311 .0510 .5190 .5 .0089 |
|
O(3) .13455 .86545 .4899 .0105 |
|
O(4) .90793 .09207 .9248 .0081 |
|
O(5) .09207 .90793 .9040 .0083 |
|
O(6) .18595 .19554 .22357 .0070 |
|
O(7) .28524 .28589 .91828 .00618 |
|
O(8) .26999 .20964 .55817 .0072 |
|
H(3) .1316 .8684 .623 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L20, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018434 |
|
15.8303 15.8303 7.1017 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76161 .691 .0136 |
|
NaX 0 0 .76161 .234 .0136 |
|
PbX 0 0 .76161 .006 .0136 |
|
TiY .06175 .93825 .36394 .001 .0103 |
|
AlY .06175 .93825 .36394 .436 .0103 |
|
FeY .06175 .93825 .36394 .018 .0103 |
|
MgY .06175 .93825 .36394 .001 .0103 |
|
MnY .06175 .93825 .36394 .008 .0103 |
|
LiY .06175 .93825 .36394 .537 .0103 |
|
AlZ .25959 .29668 .38827 .00590 |
|
SiT .19017 .19207 0 .00471 |
|
B .89135 .10865 .5448 .0070 |
|
F(1o) 0 0 .2117 .679 .0491 |
|
OH(1o) 0 0 .2117 .321 .0491 |
|
O(2o) .94025 .05975 .5193 .0157 |
|
O(3) .13470 .86530 .4902 .0104 |
|
O(4) .90792 .09208 .9252 .0077 |
|
O(5) .09194 .90806 .9037 .0078 |
|
O(6) .18585 .19565 .22351 .0068 |
|
O(7) .28545 .28601 .91848 .0059 |
|
O(8) .26981 .20944 .55806 .0069 |
|
H(3) .1293 .8708 .624 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L20, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018435 |
|
15.8303 15.8303 7.1017 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76161 .691 .0136 |
|
NaX 0 0 .76161 .234 .0136 |
|
PbX 0 0 .76161 .006 .0136 |
|
TiY .06175 .93825 .36394 .001 .0103 |
|
AlY .06175 .93825 .36394 .436 .0103 |
|
FeY .06175 .93825 .36394 .018 .0103 |
|
MgY .06175 .93825 .36394 .001 .0103 |
|
MnY .06175 .93825 .36394 .008 .0103 |
|
LiY .06175 .93825 .36394 .537 .0103 |
|
AlZ .25959 .29668 .38827 .00590 |
|
SiT .19017 .19207 0 .00471 |
|
B .89135 .10865 .5448 .0070 |
|
F(1d) .01078 .0216 .2114 .226 .0138 |
|
OH(1d) .01078 .0216 .2114 .107 .0138 |
|
O(2d) .9314 .0510 .5191 .5 .0086 |
|
O(3) .13470 .86530 .4902 .0104 |
|
O(4) .90792 .09208 .9252 .0077 |
|
O(5) .09194 .90806 .9037 .0078 |
|
O(6) .18585 .19565 .22351 .0068 |
|
O(7) .28545 .28601 .91848 .0059 |
|
O(8) .26981 .20944 .55806 .0069 |
|
H(3) .1293 .8708 .624 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L21, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018436 |
|
15.8399 15.8399 7.1030 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76207 .638 .0147 |
|
NaX 0 0 .76207 .284 .0147 |
|
PbX 0 0 .76207 .006 .0147 |
|
TiY .06183 .93817 .36477 .002 .0105 |
|
AlY .06183 .93817 .36477 .417 .0105 |
|
FeY .06183 .93817 .36477 .044 .0105 |
|
MgY .06183 .93817 .36477 .005 .0105 |
|
MnY .06183 .93817 .36477 .01 .0105 |
|
LiY .06183 .93817 .36477 .522 .0105 |
|
AlZ .25969 .29684 .38829 .00592 |
|
SiT .19020 .19212 0 .00494 |
|
B .89109 .10891 .5449 .0068 |
|
F(1o) 0 0 .2123 .668 .0535 |
|
OH(1o) 0 0 .2123 .332 .0535 |
|
O(2o) .94008 .05992 .5195 .0168 |
|
O(3) .13454 .86546 .4900 .0102 |
|
O(4) .90782 .09218 .9257 .0080 |
|
O(5) .09204 .90796 .9041 .0086 |
|
O(6) .18617 .19579 .22380 .0071 |
|
O(7) .28527 .28596 .91863 .0061 |
|
O(8) .27006 .20969 .55831 .0074 |
|
H(3) .1350 .8650 .626 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L21, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018437 |
|
15.8399 15.8399 7.1030 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76207 .638 .0147 |
|
NaX 0 0 .76207 .284 .0147 |
|
PbX 0 0 .76207 .006 .0147 |
|
TiY .06183 .93817 .36477 .002 .0105 |
|
AlY .06183 .93817 .36477 .417 .0105 |
|
FeY .06183 .93817 .36477 .044 .0105 |
|
MgY .06183 .93817 .36477 .005 .0105 |
|
MnY .06183 .93817 .36477 .01 .0105 |
|
LiY .06183 .93817 .36477 .522 .0105 |
|
AlZ .25969 .29684 .38829 .00592 |
|
SiT .19020 .19212 0 .00494 |
|
B .89109 .10891 .5449 .0068 |
|
F(1d) .01101 .0220 .2119 .222 .0152 |
|
OH(1d) .01101 .0220 .2119 .111 .0152 |
|
O(2d) .9307 .0509 .5190 .5 .0089 |
|
O(3) .13454 .86546 .4900 .0102 |
|
O(4) .90782 .09218 .9257 .0080 |
|
O(5) .09204 .90796 .9041 .0086 |
|
O(6) .18617 .19579 .22380 .0071 |
|
O(7) .28527 .28596 .91863 .0061 |
|
O(8) .27006 .20969 .55831 .0074 |
|
H(3) .1350 .8650 .626 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L22, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018438 |
|
15.8306 15.8306 7.0999 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .7613 .683 .0135 |
|
NaX 0 0 .7613 .247 .0135 |
|
PbX 0 0 .7613 .006 .0135 |
|
TiY .06180 .93820 .3644 .001 .0093 |
|
AlY .06180 .93820 .3644 .413 .0093 |
|
FeY .06180 .93820 .3644 .021 .0093 |
|
MgY .06180 .93820 .3644 .009 .0093 |
|
MnY .06180 .93820 .3644 .012 .0093 |
|
LiY .06180 .93820 .3644 .544 .0093 |
|
AlZ .25963 .29673 .38811 .00570 |
|
SiT .19025 .19212 0 .00454 |
|
B .89128 .10872 .5457 .0066 |
|
F(1o) 0 0 .2121 .638 .0494 |
|
OH(1o) 0 0 .2121 .362 .0494 |
|
O(2o) .94016 .05984 .5198 .0167 |
|
O(3) .13446 .86554 .4897 .0100 |
|
O(4) .90789 .09211 .9251 .0075 |
|
O(5) .09201 .90799 .9037 .0084 |
|
O(6) .18584 .19559 .2238 .0066 |
|
O(7) .28535 .28610 .9183 .0061 |
|
O(8) .26992 .20946 .5582 .0072 |
|
H(3) .1307 .8693 .625 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L22, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018439 |
|
15.8306 15.8306 7.0999 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .7613 .683 .0135 |
|
NaX 0 0 .7613 .247 .0135 |
|
PbX 0 0 .7613 .006 .0135 |
|
TiY .06180 .93820 .3644 .001 .0093 |
|
AlY .06180 .93820 .3644 .413 .0093 |
|
FeY .06180 .93820 .3644 .021 .0093 |
|
MgY .06180 .93820 .3644 .009 .0093 |
|
MnY .06180 .93820 .3644 .012 .0093 |
|
LiY .06180 .93820 .3644 .544 .0093 |
|
AlZ .25963 .29673 .38811 .00570 |
|
SiT .19025 .19212 0 .00454 |
|
B .89128 .10872 .5457 .0066 |
|
F(1d) .0109 .0217 .2119 .213 .0129 |
|
OH(1d) .0109 .0217 .2119 .12 .0129 |
|
O(2d) .9317 .0515 .5196 .5 .0103 |
|
O(3) .13446 .86554 .4897 .0100 |
|
O(4) .90789 .09211 .9251 .0075 |
|
O(5) .09201 .90799 .9037 .0084 |
|
O(6) .18584 .19559 .2238 .0066 |
|
O(7) .28535 .28610 .9183 .0061 |
|
O(8) .26992 .20946 .5582 .0072 |
|
H(3) .1307 .8693 .625 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L23, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018440 |
|
15.8299 15.8299 7.1009 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76143 .695 .0141 |
|
NaX 0 0 .76143 .24 .0141 |
|
PbX 0 0 .76143 .007 .0141 |
|
TiY .06195 .93805 .36442 .001 .0104 |
|
AlY .06195 .93805 .36442 .439 .0104 |
|
FeY .06195 .93805 .36442 .019 .0104 |
|
MgY .06195 .93805 .36442 .007 .0104 |
|
MnY .06195 .93805 .36442 .011 .0104 |
|
LiY .06195 .93805 .36442 .523 .0104 |
|
AlZ .25958 .29670 .38819 .00602 |
|
SiT .19019 .19212 0 .00503 |
|
B .89117 .10883 .5447 .0068 |
|
F(1o) 0 0 .2116 .678 .0500 |
|
OH(1o) 0 0 .2116 .322 .0500 |
|
O(2o) .94020 .05980 .5197 .0162 |
|
O(3) .13461 .86539 .4898 .0104 |
|
O(4) .90778 .09222 .9251 .0082 |
|
O(5) .09197 .90803 .90347 .0083 |
|
O(6) .18598 .19565 .22363 .00692 |
|
O(7) .28533 .28597 .91836 .00607 |
|
O(8) .26995 .20957 .55790 .00736 |
|
H(3) .1308 .8692 .622 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L23, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018441 |
|
15.8299 15.8299 7.1009 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76143 .695 .0141 |
|
NaX 0 0 .76143 .24 .0141 |
|
PbX 0 0 .76143 .007 .0141 |
|
TiY .06195 .93805 .36442 .001 .0104 |
|
AlY .06195 .93805 .36442 .439 .0104 |
|
FeY .06195 .93805 .36442 .019 .0104 |
|
MgY .06195 .93805 .36442 .007 .0104 |
|
MnY .06195 .93805 .36442 .011 .0104 |
|
LiY .06195 .93805 .36442 .523 .0104 |
|
AlZ .25958 .29670 .38819 .00602 |
|
SiT .19019 .19212 0 .00503 |
|
B .89117 .10883 .5447 .0068 |
|
F(1d) .01083 .0217 .2114 .226 .0140 |
|
OH(1d) .01083 .0217 .2114 .17 .0140 |
|
O(2d) .93117 .05087 .5195 .5 .0088 |
|
O(3) .13461 .86539 .4898 .0104 |
|
O(4) .90778 .09222 .9251 .0082 |
|
O(5) .09197 .90803 .90347 .0083 |
|
O(6) .18598 .19565 .22363 .00692 |
|
O(7) .28533 .28597 .91836 .00607 |
|
O(8) .26995 .20957 .55790 .00736 |
|
H(3) .1308 .8692 .622 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L24, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018442 |
|
15.8286 15.8286 7.1012 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76087 .684 .0137 |
|
NaX 0 0 .76087 .238 .0137 |
|
PbX 0 0 .76087 .013 .0137 |
|
AlY .06187 .93813 .36431 .431 .0110 |
|
FeY .06187 .93813 .36431 .013 .0110 |
|
MnY .06187 .93813 .36431 .016 .0110 |
|
LiY .06187 .93813 .36431 .54 .0110 |
|
AlZ .25962 .29673 .38823 .00610 |
|
SiT .19019 .19209 0 .00501 |
|
B .89119 .10881 .5453 .0066 |
|
F(1o) 0 0 .2118 .712 .0498 |
|
OH(1o) 0 0 .2118 .288 .0498 |
|
O(2o) .94008 .05992 .5195 .0160 |
|
O(3) .13465 .86535 .4900 .0103 |
|
O(4) .90786 .09214 .9252 .0081 |
|
O(5) .09191 .90809 .9036 .0084 |
|
O(6) .18601 .19570 .22385 .0074 |
|
O(7) .28541 .28595 .91837 .0062 |
|
O(8) .26994 .20947 .55795 .0074 |
|
H(3) .1328 .8672 .623 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L24, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018443 |
|
15.8286 15.8286 7.1012 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76087 .684 .0137 |
|
NaX 0 0 .76087 .238 .0137 |
|
PbX 0 0 .76087 .013 .0137 |
|
AlY .06187 .93813 .36431 .431 .0110 |
|
FeY .06187 .93813 .36431 .013 .0110 |
|
MnY .06187 .93813 .36431 .016 .0110 |
|
LiY .06187 .93813 .36431 .54 .0110 |
|
AlZ .25962 .29673 .38823 .00610 |
|
SiT .19019 .19209 0 .00501 |
|
B .89119 .10881 .5453 .0066 |
|
F(1d) .01087 .0217 .2116 .237 .0136 |
|
OH(1d) .01087 .0217 .2116 .096 .0136 |
|
O(2d) .9310 .0510 .5192 .5 .00864 |
|
O(3) .13465 .86535 .4900 .0103 |
|
O(4) .90786 .09214 .9252 .0081 |
|
O(5) .09191 .90809 .9036 .0084 |
|
O(6) .18601 .19570 .22385 .0074 |
|
O(7) .28541 .28595 .91837 .0062 |
|
O(8) .26994 .20947 .55795 .0074 |
|
H(3) .1328 .8672 .623 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L25, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018444 |
|
15.8438 15.8438 7.1043 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76157 .61 .0144 |
|
NaX 0 0 .76157 .322 .0144 |
|
PbX 0 0 .76157 .007 .0144 |
|
TiY .06196 .93804 .36551 .002 .0098 |
|
AlY .06196 .93804 .36551 .38 .0098 |
|
FeY .06196 .93804 .36551 .04 .0098 |
|
MgY .06196 .93804 .36551 .019 .0098 |
|
MnY .06196 .93804 .36551 .02 .0098 |
|
LiY .06196 .93804 .36551 .538 .0098 |
|
AlZ .25973 .29684 .38806 .00601 |
|
SiT .19018 .19211 0 .00480 |
|
B .89103 .10897 .5447 .0065 |
|
F(1o) 0 0 .2121 .633 .0526 |
|
OH(1o) 0 0 .2121 .337 .0526 |
|
O(2o) .94003 .05997 .5196 .0157 |
|
O(3) .13475 .86525 .4900 .0098 |
|
O(4) .90785 .09215 .9255 .0080 |
|
O(5) .09202 .90798 .9040 .0079 |
|
O(6) .18627 .19593 .22362 .0068 |
|
O(7) .28533 .28590 .91835 .0062 |
|
O(8) .27008 .20966 .55791 .0075 |
|
H(3) .1316 .8684 .623 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L25, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018445 |
|
15.8438 15.8438 7.1043 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76157 .61 .0144 |
|
NaX 0 0 .76157 .322 .0144 |
|
PbX 0 0 .76157 .007 .0144 |
|
TiY .06196 .93804 .36551 .002 .0098 |
|
AlY .06196 .93804 .36551 .38 .0098 |
|
FeY .06196 .93804 .36551 .04 .0098 |
|
MgY .06196 .93804 .36551 .019 .0098 |
|
MnY .06196 .93804 .36551 .02 .0098 |
|
LiY .06196 .93804 .36551 .538 .0098 |
|
AlZ .25973 .29684 .38806 .00601 |
|
SiT .19018 .19211 0 .00480 |
|
B .89103 .10897 .5447 .0065 |
|
F(1d) .01128 .0226 .2119 .211 .0125 |
|
OH(1d) .01128 .0226 .2119 .112 .0125 |
|
O(2d) .9308 .0509 .5194 .5 .0079 |
|
O(3) .13475 .86525 .4900 .0098 |
|
O(4) .90785 .09215 .9255 .0080 |
|
O(5) .09202 .90798 .9040 .0079 |
|
O(6) .18627 .19593 .22362 .0068 |
|
O(7) .28533 .28590 .91835 .0062 |
|
O(8) .27008 .20966 .55791 .0075 |
|
H(3) .1316 .8684 .623 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L26, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018446 |
|
15.8368 15.8368 7.1014 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76167 .66 .0146 |
|
NaX 0 0 .76167 .272 .0146 |
|
PbX 0 0 .76167 .005 .0146 |
|
TiY .06181 .93819 .36473 .003 .0117 |
|
AlY .06181 .93819 .36473 .398 .0117 |
|
FeY .06181 .93819 .36473 .031 .0117 |
|
MnY .06181 .93819 .36473 .017 .0117 |
|
LiY .06181 .93819 .36473 .549 .0117 |
|
AlZ .25973 .29686 .38801 .00606 |
|
SiT .19014 .19207 0 .00490 |
|
B .89129 .10871 .5444 .0061 |
|
OH(1o) 0 0 .2120 .566 .0533 |
|
F(1o) 0 0 .2120 .434 .0533 |
|
O(2o) .94003 .05997 .5199 .0160 |
|
O(3) .13473 .86527 .4903 .0098 |
|
O(4) .90784 .09216 .9254 .0081 |
|
O(5) .09199 .90801 .9040 .0085 |
|
O(6) .18617 .19589 .22343 .0071 |
|
O(7) .28545 .28601 .91837 .0061 |
|
O(8) .26993 .20961 .55783 .0073 |
|
H(3) .1272 .8728 .618 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L26, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018447 |
|
15.8368 15.8368 7.1014 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76167 .66 .0146 |
|
NaX 0 0 .76167 .272 .0146 |
|
PbX 0 0 .76167 .005 .0146 |
|
TiY .06181 .93819 .36473 .003 .0117 |
|
AlY .06181 .93819 .36473 .398 .0117 |
|
FeY .06181 .93819 .36473 .031 .0117 |
|
MnY .06181 .93819 .36473 .017 .0117 |
|
LiY .06181 .93819 .36473 .549 .0117 |
|
AlZ .25973 .29686 .38801 .00606 |
|
SiT .19014 .19207 0 .00490 |
|
B .89129 .10871 .5444 .0061 |
|
OH(1d) .01074 .0215 .2117 .189 .0037 |
|
F(1d) .01074 .0215 .2117 .144 .0037 |
|
O(2d) .9312 .0513 .5192 .5 .0092 |
|
O(3) .13473 .86527 .4903 .0098 |
|
O(4) .90784 .09216 .9254 .0081 |
|
O(5) .09199 .90801 .9040 .0085 |
|
O(6) .18617 .19589 .22343 .0071 |
|
O(7) .28545 .28601 .91837 .0061 |
|
O(8) .26993 .20961 .55783 .0073 |
|
H(3) .1272 .8728 .618 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L27, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018448 |
|
15.8333 15.8333 7.1025 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76151 .614 .0147 |
|
NaX 0 0 .76151 .311 .0147 |
|
PbX 0 0 .76151 .006 .0147 |
|
TiY .06183 .93817 .36530 .006 .0112 |
|
AlY .06183 .93817 .36530 .424 .0112 |
|
FeY .06183 .93817 .36530 .052 .0112 |
|
MgY .06183 .93817 .36530 .006 .0112 |
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MnY .06183 .93817 .36530 .019 .0112 |
|
LiY .06183 .93817 .36530 .494 .0112 |
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AlZ .25964 .29677 .38811 .00613 |
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SiT .19022 .19214 0 .00500 |
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B .89123 .10877 .5450 .0067 |
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F(1o) 0 0 .2118 .633 .0501 |
|
OH(1o) 0 0 .2118 .367 .0501 |
|
O(2o) .94003 .05997 .5198 .0159 |
|
O(3) .13484 .86516 .4899 .0103 |
|
O(4) .90794 .09206 .9255 .0083 |
|
O(5) .09200 .90800 .9041 .0087 |
|
O(6) .18609 .19576 .22360 .0068 |
|
O(7) .28528 .28590 .91825 .0063 |
|
O(8) .26999 .20960 .55798 .0073 |
|
H(3) .1312 .8688 .622 .015 |
|
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
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Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
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Sample: L27, disordered model |
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Locality: Anjanabonoina, central Madagascar |
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_database_code_amcsd 0018449 |
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15.8333 15.8333 7.1025 90 90 120 R3m |
|
atom x y z occ Uiso |
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CaX 0 0 .76151 .614 .0147 |
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NaX 0 0 .76151 .311 .0147 |
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PbX 0 0 .76151 .006 .0147 |
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TiY .06183 .93817 .36530 .006 .0112 |
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AlY .06183 .93817 .36530 .424 .0112 |
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FeY .06183 .93817 .36530 .052 .0112 |
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MgY .06183 .93817 .36530 .006 .0112 |
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MnY .06183 .93817 .36530 .019 .0112 |
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LiY .06183 .93817 .36530 .494 .0112 |
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AlZ .25964 .29677 .38811 .00613 |
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SiT .19022 .19214 0 .00500 |
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B .89123 .10877 .5450 .0067 |
|
F(1d) .01099 .0220 .2119 .211 .0131 |
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OH(1d) .01099 .0220 .2119 .122 .0131 |
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O(2d) .9307 .0507 .5198 .5 .0080 |
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O(3) .13484 .86516 .4899 .0103 |
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O(4) .90794 .09206 .9255 .0083 |
|
O(5) .09200 .90800 .9041 .0087 |
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O(6) .18609 .19576 .22360 .0068 |
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O(7) .28528 .28590 .91825 .0063 |
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O(8) .26999 .20960 .55798 .0073 |
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H(3) .1312 .8688 .622 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L28, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018450 |
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15.8404 15.8404 7.1039 90 90 120 R3m |
|
atom x y z occ Uiso |
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CaX 0 0 .76133 .63 .0153 |
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NaX 0 0 .76133 .338 .0153 |
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PbX 0 0 .76133 .007 .0153 |
|
TiY .06210 .93790 .36663 .004 .0104 |
|
AlY .06210 .93790 .36663 .401 .0104 |
|
FeY .06210 .93790 .36663 .041 .0104 |
|
MgY .06210 .93790 .36663 .023 .0104 |
|
MnY .06210 .93790 .36663 .023 .0104 |
|
LiY .06210 .93790 .36663 .508 .0104 |
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AlZ .25975 .29691 .38799 .00619 |
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SiT .19019 .19212 0 .00504 |
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B .89101 .10899 .5448 .0067 |
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F(1o) 0 0 .2122 .691 .0534 |
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OH(1o) 0 0 .2122 .309 .0534 |
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O(2o) .94000 .06000 .5199 .0160 |
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O(3) .13473 .86527 .4897 .0102 |
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O(4) .90788 .09212 .9257 .0084 |
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O(5) .09206 .90794 .9044 .0082 |
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O(6) .18633 .19591 .22364 .0071 |
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O(7) .28542 .28587 .91841 .00608 |
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O(8) .26994 .20957 .55782 .0076 |
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H(3) .1339 .8661 .625 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L28, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018451 |
|
15.8404 15.8404 7.1039 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76133 .63 .0153 |
|
NaX 0 0 .76133 .338 .0153 |
|
PbX 0 0 .76133 .007 .0153 |
|
TiY .06210 .93790 .36663 .004 .0104 |
|
AlY .06210 .93790 .36663 .401 .0104 |
|
FeY .06210 .93790 .36663 .041 .0104 |
|
MgY .06210 .93790 .36663 .023 .0104 |
|
MnY .06210 .93790 .36663 .023 .0104 |
|
LiY .06210 .93790 .36663 .508 .0104 |
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AlZ .25975 .29691 .38799 .00619 |
|
SiT .19019 .19212 0 .00504 |
|
B .89101 .10899 .5448 .0067 |
|
F(1d) .01123 .0225 .2120 .23 .0144 |
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OH(1d) .01123 .0225 .2120 .103 .0144 |
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O(2d) .9309 .0510 .5198 .5 .0086 |
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O(3) .13473 .86527 .4897 .0102 |
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O(4) .90788 .09212 .9257 .0084 |
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O(5) .09206 .90794 .9044 .0082 |
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O(6) .18633 .19591 .22364 .0071 |
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O(7) .28542 .28587 .91841 .00608 |
|
O(8) .26994 .20957 .55782 .0076 |
|
H(3) .1339 .8661 .625 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Aurisicchio C, Demartin F, Ottolini L, Pezzotta F |
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European Journal of Mineralogy 11 (1999) 237-242 |
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Homogeneous liddicoatite from Madagascar: a possible |
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reference material? First EMPA, SIMS and SREF data |
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Sample: 1 |
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Locality: Madagascar |
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_database_code_amcsd 0006766 |
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15.880 15.880 7.118 90 90 120 R3m |
|
atom x y z occ Biso |
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CaX 0 0 .2339 .483 .643 |
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NaX 0 0 .2339 .412 .643 |
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KX 0 0 .2339 .105 .643 |
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LiY .93831 .06169 .6289 2/3 .673 |
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AlY .93831 .06169 .6289 1/3 .673 |
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AlZ .29730 .26033 .61097 .466 |
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Si .19208 .19020 -.00105 .377 |
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B .10932 .89068 .4528 .56 |
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F1 .9887 .0113 .7868 .109 1.24 |
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O1 .9887 .0113 .7868 .127 1.24 |
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OH1 .9887 .0113 .7868 .097 1.24 |
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OH1 .2695 .13475 .5085 .84 |
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O2 .06062 .93938 .4782 1.60 |
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O3 .09253 .18506 .0719 .73 |
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O4 .1849 .09245 .0938 .76 |
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O5 .19663 .18679 .7751 .66 |
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O6 .28586 .28578 .0803 .57 |
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O7 .20966 .27029 .4409 .68 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Aurisicchio C, Demartin F, Ottolini L, Pezzotta F |
| |
European Journal of Mineralogy 11 (1999) 237-242 |
|
Homogeneous liddicoatite from Madagascar: a possible |
|
reference material? First EMPA, SIMS and SREF data |
|
Sample: 2 |
|
Locality: Madagascar |
|
_database_code_amcsd 0006767 |
|
15.882 15.882 7.115 90 90 120 R3m |
|
atom x y z occ Biso |
|
CaX 0 0 .2361 .452 .66 |
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NaX 0 0 .2361 .435 .66 |
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KX 0 0 .2361 .04 .66 |
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LiY .93825 .06175 .6308 2/3 .651 |
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AlY .93825 .06175 .6308 1/3 .651 |
|
AlZ .29725 .26030 .61261 .460 |
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Si .19207 .19018 .00057 .360 |
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B .10938 .89062 .4548 .54 |
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F1 .9888 .0112 .7874 .109 1.33 |
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O1 .9888 .0112 .7874 .094 1.33 |
|
OH1 .9888 .0112 .7874 .130 1.33 |
|
OH1 .2696 .1348 .5099 .86 |
|
O2 .06047 .93953 .4800 1.60 |
|
O3 .09251 .18502 .0736 .74 |
|
O4 .1849 .09245 .0953 .75 |
|
O5 .19646 .18665 .7768 .63 |
|
O6 .28575 .28560 .0820 .56 |
|
O7 .20969 .27035 .4429 .66 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Fluor-liddicoatite |
| |
Rozhdestvenskaya I V, Bronzova Y M, Frank-Kamenetskaya O V |
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Zolotarev A A, Kuznetsova L G, Bannova I I |
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Crystallography Reports 53 (2008) 223-227 |
|
Refinement of the crystal structure of calcium-lithium-aluminum tourmaline |
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from the pegmatite vein in the Sangilen Upland (Tuva Republic) |
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Locality: Sangilen Upland, Tuva Republic |
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_database_code_amcsd 0012397 |
|
15.894 15.894 7.115 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .2289 .62 .0130 |
|
NaX 0 0 .2289 .32 .0130 |
|
AlY .12379 .06190 .6319 .36 .0044 |
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LiY .12379 .06190 .6319 .33 .0044 |
|
FeY .12379 .06190 .6319 .22 .0044 |
|
MgY .12379 .06190 .6319 .08 .0044 |
|
TiY .12379 .06190 .6319 .01 .0044 |
|
AlZ .29735 .26050 .6113 .0052 |
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SiT .19223 .19026 0 .0044 |
|
B .1094 .2188 .4533 .0058 |
|
FO1 0 0 .7861 .84 .0330 |
|
OH11 .0329 .0165 .797 .05 .0100 |
|
O2 .0600 .1200 .4784 .0151 |
|
O3 .2702 .1351 .5097 .0084 |
|
O4 .0921 .1842 .0727 .0087 |
|
O5 .1840 .0920 .0947 .0087 |
|
O6 .1968 .1868 .7754 .0067 |
|
O7 .2859 .2857 .0813 .0060 |
|
O8 .2097 .2702 .4408 .0069 |
|
H .252 .126 .415 .76 .0400 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
